4-Bromo-2-nitrobenzaldehyde

C₇H₄BrNO₃CAS 5551-12-2230.02 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Nitro

Properties

Molecular formula: C₇H₄BrNO₃
Molar mass: 230.02 g/mol
Exact mass: 228.9375 Da
logP: 2.17Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5551-12-2

SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])C=O

InChIKey

GSXUXSXBEUJRAJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H

Weigh it out

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Work with 4-Bromo-2-nitrobenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dinitrobenzaldehyde528-75-666 % similar 4-Fluoro-2-nitrobenzaldehyde2923-96-864 % similar 4-Bromo-1,2-dinitrobenzene610-38-864 % similar 4-Chloro-2-nitrobenzaldehyde5551-11-162 % similar 4-Bromo-2-nitrophenol7693-52-961 % similar 2,5-Dibromonitrobenzene3460-18-260 % similar 2-Nitro-4-(trifluoromethyl)benzaldehyde109466-87-757 % similar 4-Methoxy-2-nitrobenzaldehyde22996-21-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Nitrobenzoyl bromide13277-62-8 4-Bromo-3-nitrobenzaldehyde163596-75-6 5-Bromo-2-nitrobenzaldehyde20357-20-4 2-Bromo-6-nitrobenzaldehyde20357-21-5 3-Bromo-5-nitrobenzaldehyde355134-13-3

Elsewhere

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